In- vitro Pharmacological investigation and Molecular Docking validation of Rhodiola rosea root against Bacterial and Helminthiasis infections

Abstract

The present study's objective was to identify the phytoconstituents present in methanolic extract of Rhodiola rosea (R. rosea) with a help of Gas chromatography-Mass Spectrometry (GC-MS). The extract was subjected for the antibacterial (Escherichia coli ) and anthelmintic (adult Indian earthworms-Pheretima posthuma)in-vitro activities followed by the validation of the same by subjecting the bioactive compounds obtained in GCMS analysis to molecular docking studies for anthelmintic and antibacterial protein targets. Six compounds with molecular formula C12H14O4NF3, C9H14O2Si, C29H44O12, C18H30O, C12H23O2N, and C17H32O were identified in GCMS analysis. Different extract concentrations viz 50, 75, 100, 150, and 200 mg/ml and 50, 75, 100, 150, and 200 µg/ml for anthelmintic activity and anti-bacterial activity respectively. For anthelmintic protein target, results of molecular docking (presented by 3D & 2D model) revealed that the identified compounds (binding energy -6.05 to -8.40 Kcal/mol) exhibited a comparable binding affinity as that of albendazole(binding energy -9.54 Kcal/mol) except C3 (binding energy +33.42 Kcal/mol) compound. antibacterial protein target, compounds' binding affinities were found to be in the range -4.49 to -6.68 Kcal/mol, while chlorobiocin was found to be -4.75 Kcal/mol. The extract exhibited dose-dependent in-vitroanthelmintic (150 and 200 mg/ml) and antibacterial activity (150 and 200 µg/ml. The minimum lethal amount of extract concentration for anthelmintic activity was found to be 150 μg/ml. At this concentration, Pheretimaposthuma died in 33.56 ± 2.15 min while with a standard dose of albendazole, the lethal time was found to be 22.75 ± 1.63 min. Finally concluded that the identified bioactive compounds from R. rosea have the potential anthelmintic and antibacterial activity as justified by in-vitro biological evaluations and molecular docking studies.